4-amino-1H-imidazole-5-carboxamide;1-[3-[(5-carbamoyl-1H-imidazol-4-yl)amino]-3-oxopropyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid

C46H42Cl2N14O9 — CID 158640374

About 4-amino-1H-imidazole-5-carboxamide;1-[3-[(5-carbamoyl-1H-imidazol-4-yl)amino]-3-oxopropyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid

4-amino-1H-imidazole-5-carboxamide;1-[3-[(5-carbamoyl-1H-imidazol-4-yl)amino]-3-oxopropyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid (PubChem CID 158640374) has the molecular formula C46H42Cl2N14O9 and a molecular weight of 1005.84 g/mol. Its IUPAC name is 4-amino-1H-imidazole-5-carboxamide;1-[3-[(5-carbamoyl-1H-imidazol-4-yl)amino]-3-oxopropyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid.

Molecular Properties

• Compound Name: 4-amino-1H-imidazole-5-carboxamide;1-[3-[(5-carbamoyl-1H-imidazol-4-yl)amino]-3-oxopropyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid
• PubChem CID: 158640374
• Molecular Formula: C46H42Cl2N14O9
• Molecular Weight: 1005.84 g/mol
• Exact Mass: 1004.26
• IUPAC Name: 4-amino-1H-imidazole-5-carboxamide;1-[3-[(5-carbamoyl-1H-imidazol-4-yl)amino]-3-oxopropyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid
• SMILES: NC(=O)c1[nH]cnc1N.NC(=O)c1[nH]cnc1NC(=O)CCn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cccnc21.O=C(O)CCn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cccnc21
• InChI: InChI=1S/C23H20ClN7O4.C19H16ClN3O4.C4H6N4O/c24-15-5-3-13(4-6-15)11-27-22(34)16-10-14-2-1-8-26-21(14)31(23(16)35)9-7-17(32)30-20-18(19(25)33)28-12-29-20;20-14-5-3-12(4-6-14)11-22-18(26)15-10-13-2-1-8-21-17(13)23(19(15)27)9-7-16(24)25;5-3-2(4(6)9)7-1-8-3/h1-6,8,10,12H,7,9,11H2,(H2,25,33)(H,27,34)(H,28,29)(H,30,32);1-6,8,10H,7,9,11H2,(H,22,26)(H,24,25);1H,5H2,(H2,6,9)(H,7,8)
• InChIKey: IAHMULBELNEVGY-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 363.94 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1005.84
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4-amino-1H-imidazole-5-carboxamide;1-[3-[(5-carbamoyl-1H-imidazol-4-yl)amino]-3-oxopropyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid?

The IUPAC name of 4-amino-1H-imidazole-5-carboxamide;1-[3-[(5-carbamoyl-1H-imidazol-4-yl)amino]-3-oxopropyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid (CID 158640374) is 4-amino-1H-imidazole-5-carboxamide;1-[3-[(5-carbamoyl-1H-imidazol-4-yl)amino]-3-oxopropyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid.

What is the SMILES notation for 4-amino-1H-imidazole-5-carboxamide;1-[3-[(5-carbamoyl-1H-imidazol-4-yl)amino]-3-oxopropyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid?

The canonical SMILES for 4-amino-1H-imidazole-5-carboxamide;1-[3-[(5-carbamoyl-1H-imidazol-4-yl)amino]-3-oxopropyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid is NC(=O)c1[nH]cnc1N.NC(=O)c1[nH]cnc1NC(=O)CCn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cccnc21.O=C(O)CCn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cccnc21.

What is the InChIKey of 4-amino-1H-imidazole-5-carboxamide;1-[3-[(5-carbamoyl-1H-imidazol-4-yl)amino]-3-oxopropyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid?

The InChIKey is IAHMULBELNEVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN7O4.C19H16ClN3O4.C4H6N4O/c24-15-5-3-13(4-6-15)11-27-22(34)16-10-14-2-1-8-26-21(14)31(23(16)35)9-7-17(32)30-20-18(19(25)33)28-12-29-20;20-14-5-3-12(4-6-14)11-22-18(26)15-10-13-2-1-8-21-17(13)23(19(15)27)9-7-16(24)25;5-3-2(4(6)9)7-1-8-3/h1-6,8,10,12H,7,9,11H2,(H2,25,33)(H,27,34)(H,28,29)(H,30,32);1-6,8,10H,7,9,11H2,(H,22,26)(H,24,25);1H,5H2,(H2,6,9)(H,7,8).

What are the key properties of 4-amino-1H-imidazole-5-carboxamide;1-[3-[(5-carbamoyl-1H-imidazol-4-yl)amino]-3-oxopropyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid?

4-amino-1H-imidazole-5-carboxamide;1-[3-[(5-carbamoyl-1H-imidazol-4-yl)amino]-3-oxopropyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid has a molecular weight of 1005.84 g/mol, XLogP of 3.38, 15 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1H-imidazole-5-carboxamide;1-[3-[(5-carbamoyl-1H-imidazol-4-yl)amino]-3-oxopropyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid is sourced from PubChem (CID 158640374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).